(-) -Mesembranol

CAT: 1596-AR-M01450-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M01450-02Size:25 Units

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CAS Number

23544-42-5

Synonyms

(3aS,6R,7aS) -3a- (3,4-dimethoxyphenyl) -1-methyloctahydro-1H-indol-6-ol

Molecular Formula

C17H25NO3

Molecular Weight

291.39

API Name

Mesembrine

Chemical Information

Mesembrinol

Mesembrinol is a member of pyrrolidines.

CAS Number	23544-42-5
PubChem CID	442112
IUPAC Name	(3aS,6R,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-6-ol
Molecular Formula	C17H25NO3
Molecular Weight	291.4
XLogP	2.4
Topological Polar Surface Area	41.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	364

SMILES

CN1CC[C@]2([C@@H]1C[C@@H](CC2)O)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C17H25NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,13,16,19H,6-9,11H2,1-3H3/t13-,16+,17+/m1/s1

InChIKey

KPMLOZVRLWHOBN-COXVUDFISA-N

Chemical Structure

2D Structure

CAS: 23544-42-5

CID: 442112

Formula: C17H25NO3

MW: 291.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	291.4
XLogP3	2.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	291.18344366
Monoisotopic Mass	291.18344366
Topological Polar Surface Area	41.9 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	364
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
AR-M01451-01	Mesembrenol
AR-M01454-01	Mesembrenol Enantiomer

Catalog	Name
GTR19279625-01	Mesembranol